Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9620291 | 0.81 | CYP19A1 (0.56) | CYP19A1P2RX4SMN1; SMN2KDM4EMAPT | |
| SCHEMBL9620296 | 0.81 | CYP19A1 (0.56) | CYP19A1P2RX4SMN1; SMN2KDM4EMAPT | |
| SCHEMBL10493548 | 0.79 | CYP19A1 (0.53) | CYP19A1P2RX4SMN1; SMN2KDM4EMAPT | |
| SCHEMBL10493566 | 0.78 | LMNA (0.54) | CYP19A1P2RX4SMN1; SMN2KDM4EMAPT | |
| SCHEMBL28840690 | 0.76 | PGR (0.50) | KDM4EALDH1A1PGRLMNATDP1 | |
| SCHEMBL14045106 | 0.75 | CYP19A1 (0.56) | CYP19A1P2RX4SMN1; SMN2KDM4EMAPT | |
| SCHEMBL30007452 | 0.73 | CYP19A1 (1.00) | CYP19A1P2RX4SMN1; SMN2KDM4EMAPT | |
| SCHEMBL151053 | 0.73 | CYP19A1 (1.00) | CYP19A1P2RX4SMN1; SMN2KDM4EMAPT | |
| SCHEMBL9398256 | 0.72 | CYP19A1 (0.95) | CYP19A1P2RX4SMN1; SMN2KDM4EMAPT | |
| Bromide SCHEMBL28888744 | 0.72 | CYP19A1 (0.95) | CYP19A1P2RX4SMN1; SMN2KDM4EMAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115028655-B | 2-trifluoromethyl-3-iodo-indole compound and preparation method thereof | 上海大学 | 2024-01-16 | — | — | CN | disclosed |
| CN-115028655-A | 2-trifluoromethyl-3-iodine-indole compound and preparation method thereof | 上海大学 | 2022-09-09 | — | — | CN | disclosed |